2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide

C12H7BrF2N2O — CID 113262877

IUPAC2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(F)nc1)c1c(F)cccc1Br
InChIInChI=1S/C12H7BrF2N2O/c13-8-2-1-3-9(14)11(8)12(18)17-7-4-5-10(15)16-6-7/h1-6H,(H,17,18)
InChIKeyZHSYWUYQSIIPMI-UHFFFAOYSA-N
MW313.10 g/mol
LogP3.37
Rot. Bonds2

About 2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide

2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide (PubChem CID 113262877) has the molecular formula C12H7BrF2N2O and a molecular weight of 313.10 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide
PubChem CID113262877
Molecular FormulaC12H7BrF2N2O
Molecular Weight313.10 g/mol
Exact Mass311.97
IUPAC Name2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(F)nc1)c1c(F)cccc1Br
InChIInChI=1S/C12H7BrF2N2O/c13-8-2-1-3-9(14)11(8)12(18)17-7-4-5-10(15)16-6-7/h1-6H,(H,17,18)
InChIKeyZHSYWUYQSIIPMI-UHFFFAOYSA-N
XLogP3.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.10
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(2-bromo-6-fluorobenzoyl)-N-(6-fluoro-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 134610622
N-(6-fluoro-3-pyridinyl)-2,6-dihydroxybenzamide
CID 103923595
2-bromo-6-fluoro-N-pyridin-4-ylbenzamide
CID 59618072
2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 115678055
N-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide
CID 114558425
2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide
CID 115678058
2-bromo-6-fluoro-N-(4-methylsulfonylphenyl)benzamide
CID 115678157
3-bromo-N-(6-fluoro-3-pyridinyl)thiophene-2-carboxamide
CID 103789932
N-(6-amino-3-pyridinyl)-2-fluoro-6-hydroxybenzamide
CID 107015825
2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide
CID 113250708
N-(2,6-dibromophenyl)-6-fluoropyridine-3-carboxamide
CID 107598690
2-bromo-N-(3-chloro-4-ethoxyphenyl)-6-fluorobenzamide
CID 115678420

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide (CID 113262877) is 2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide is O=C(Nc1ccc(F)nc1)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide?
The InChIKey is ZHSYWUYQSIIPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2N2O/c13-8-2-1-3-9(14)11(8)12(18)17-7-4-5-10(15)16-6-7/h1-6H,(H,17,18).
What are the key properties of 2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide?
2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide has a molecular weight of 313.10 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide is sourced from PubChem (CID 113262877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).